4-[1-[butyl(methyl)azaniumyl]butan-2-ylsulfanyl]-2-(6-methoxynaphthalen-2-yl)-2-methyl-butanoate

Systemtic Name: 4-[1-[butyl(methyl)azaniumyl]butan-2-ylsulfanyl]-2-(6-methoxynaphthalen-2-yl)-2-methyl-butanoate Openeye Name: 4-[1-[[butyl(methyl)ammonio]methyl]propylsulfanyl]-2-(6-methoxy-2-naphthyl)-2-methyl-butanoate CAS Name: 4-[1-[butyl(methyl)ammonio]butan-2-ylthio]-2-(6-methoxy-2-naphthalenyl)-2-methylbutanoate IUPAC Name: 4-[1-[butyl(methyl)azaniumyl]butan-2-ylsulfanyl]-2-(6-methoxynaphthalen-2-yl)-2-methylbutanoate Traditional Name: 4-[1-[[butyl(methyl)ammonio]methyl]propylthio]-2-(6-methoxy-2-naphthyl)-2-methyl-butyrate Formula: C25H37NO3S MolecularWeight: 431.63118

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC(CC)SCCC(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-]

Isomeric SMILES

CCCC[NH+](C)CC(CC)SCCC(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-]

InChI

InChI=1S/C25H37NO3S/c1-6-8-14-26(4)18-23(7-2)30-15-13-25(3,24(27)28)21-11-9-20-17-22(29-5)12-10-19(20)16-21/h9-12,16-17,23H,6-8,13-15,18H2,1-5H3,(H,27,28)